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|Title:||Tight binding calculation of the elastic properties of compound semiconductors|
Tight binding calculation
|Source:||Chan, B.C.,Ong, C.K. (1990). Tight binding calculation of the elastic properties of compound semiconductors. Journal of Physics and Chemistry of Solids 51 (4) : 343-348. ScholarBank@NUS Repository.|
|Abstract:||A scheme, proposed by Chadi and Martin (Solid St. Commun. 19, 643, 1976), using a special point method to calculate phonon frequencies and elastic moduli through the computation of the change of the total energy of a phonon/stress distorted lattice without introducing any additional parameters, is reviewed. Relevant formulas and sets of special points used for the calculation are presented in a readily implementable form. The scheme was used in calculating the phonon and elastic properties of a compound semiconductor. The results agree well with the experimental data. © 1990.|
|Source Title:||Journal of Physics and Chemistry of Solids|
|Appears in Collections:||Staff Publications|
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